scholarly journals Hydrogen-bonding patterns in bis(cytosinium) tartarate monohydrate

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
P. Jaikumar ◽  
T. V. Sundar ◽  
N. Sharmila ◽  
T. Balakrishnan ◽  
K. Ramamurthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Tartaric Acid ◽  
Asymmetric Unit ◽  
Acid Anion ◽  
Π Interactions ◽  
Crystal Stability ◽  
Bonding Patterns

The asymmetric unit of the title cystosinium salt derivative, 2C4H6N3O+·C4H4O6 2−·H2O, contains two cytosinium cations, one tartaric acid anion and a water molecule. The two cytosinium cations are almost planar (r.m.s. deviations of the fitted atoms are 0.0151 and 0.0213 Å). The crystal structure features C—H...O, N—H...O and O—H...O interactions. Further C—O...π and π–π interactions are observed along the ab plane, contributing to the crystal stability.

scholarly journals Crystal structure of a trigonal polymorph of aquadioxidobis(pentane-2,4-dionato-κ2 O,O′)uranium(VI)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Alejandro Hernandez ◽  
Indranil Chakraborty ◽  
Gabriela Ortega ◽  
Christopher J. Dares
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Equatorial Plane ◽  
Title Compound ◽  
Uranium Atom ◽  
Intermolecular Hydrogen Bonding ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Acta Cryst

The title compound, [UO2(acac)2(H2O)] consists of a uranyl(VI) unit ([O=U=O]2+) coordinated to two monoanionic acetylacetonate (acac, C5H7O2) ligands and one water molecule. The asymmetric unit includes a one-half of a uranium atom, one oxido ion, one-half of a water molecule and one acac ligand. The coordination about the uranium atom is distorted pentagonal–bipyramidal. The acac ligands and Ow atom comprise the equatorial plane, while the uranyl O atoms occupy the axial positions. Intermolecular hydrogen bonding between complexes results in the formation of two-dimensional hexagonal void channels along the c-axis direction with a diameter of 6.7 Å. The monoclinic (P21/c space group) polymorph was reported by Alcock & Flanders [(1987). Acta Cryst. C43, 1480–1483].

Bis(μ-1H-benzimidazole-5,6-dicarboxylato)bis[tetraaquadicobalt(II)] pentahydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2657-m2658 ◽  
Author(s):  
Yu-Lin Lo ◽  
Wen-Chieh Wang ◽  
Gon-Ann Lee ◽  
Yen-Hsiang Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Type Complex

The title compound, [Co2(C9H4N2O4)2(H2O)8]·5H2O, contains two CoII ions that are bridged by two 1H-benzimidazole-5,6-dicarboxylate ligands to form an M 2 L 2 type complex (M = metal and L = ligand). There are two crystallographically distinct M 2 L 2 units, each on an inversion centre, along with coordinated and uncoordinated water molecules, in the asymmetric unit. The CoII ions are octahedral. Extensive hydrogen bonding exists between the complex and water molecules, and this helps to stabilize the crystal structure. One water molecule is disordered over two sites with occupancies 0.84:0.16.

scholarly journals Crystal structure of 8-(4-methylphenyl)-2′-deoxyadenosine hemihydrate

2018 ◽  
Vol 74 (1) ◽  
pp. 1-5 ◽  
Author(s):  
Ajaykumar V. Ardhapure ◽  
Yogesh S. Sanghvi ◽  
Yulia Borozdina ◽  
Anant Ramakant Kapdi ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
The Other ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Independent Molecules

In the asymmetric unit, equalling the unit cell (triclinic,P1,Z= 1), two molecules of the title compound, 8-(4-methylphenyl)-D-2′-deoxyadenosine, C17H19N5O3, are present, with distinct conformations of the two sugar moieties, together with one solvent water molecule. All three ribose O atoms are involved in hydrogen bonding and the crystal packing is largely determined by hydrogen-bonding or hydrogen–heteroatom interactions (O—H...O, O—H...N, N—H...O, C—H...O and C—H...N) with one independent molecule directly linked to four neighbouring molecules and the other molecule directly linked to six neighbouring molecules. The two independent molecules of the asymmetric unit display three weak intramolecular C—H-to-heteroatom contacts, two of which are very similar despite the different conformations of the deoxyribosyl moieties. The aromatic ring systems of both molecules are in proximity to each other and somehow aligned, though not coplanar. The absolute structures of the two molecules were assumed with reference to the reactant 8-bromo-D-2′-deoxyadenosine as they could not be determined crystallographically.

2′,7′-Di-4-pyridylspiro[cyclopropane-1,9′-fluorene] hemihydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o3013-o3014 ◽  
Author(s):  
Zi-Xing Wang ◽  
Hai-Yao Lin ◽  
Ping Lu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
One Dimensional ◽  
Solvent Water ◽  
Compound C

The asymmetric unit of the crystal structure of the title compound, C25H18N2·0.5H2O, contains two independent dipyridylspiro(cyclopropanefluorene) (CPF) molecules and one solvent water molecule. The two CPF molecules show significantly different dihedral angles between the pyridine rings and fluorene plane. The water molecule links with the CPF molecules via O—H...N hydrogen bonding to form a one-dimensional supramolecular chain.

scholarly journals Poly[μ6-(naphthalene-2,6-dicarboxylato)-bis(aqualithium)]

2014 ◽  
Vol 70 (8) ◽  
pp. m288-m288
Author(s):  
Lionel Fédèle ◽  
Frédéric Sauvage ◽  
Matthieu Becuwe ◽  
Jean-Noël Chotard
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Carboxylate Groups

The title compound, [Li2(C12H6O4)(H2O)2]n, crystallizes with one half of the molecular entities in the asymmetric unit. The second half is gererated by inversion symmetry. The crystal structure has a layered arrangement built from distorted edge-sharing LiO3(OH)2tetrahedra parallel to (100), with naphthalenedicarboxylate bridging the LiO3(OH)2layers along the [100] direction. Hydrogen bonding between the water molecule and adjacent carboxylate groups consolidates the packing.

scholarly journals (10R,13R)-17-(6-Hydroxy-5-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol hemihydrate: a bioactive steroid isolated from the Indian herbArtemisia reticulata

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
A. K. Bauri ◽  
Sabine Foro ◽  
Nhu Quynh Nguyen Do
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Compound C ◽  
Steroidal Compound ◽  
Independent Molecules

The title tetracyclic steroidal compound, C27H46O2·0.5H2O, crystallized as a monohydrate with two independent molecules (1and2) in the asymmetric unit. In both molecules, the conformations of the three cyclohexane rings (A,BandC) are chair, half-chair and chair, respectively. The fourth ring,D, has a twisted conformation on the bond linking theDandCrings. The crystal structure is stabilized by hydrogen bonding with the two independent molecules being linked through the solvent water moleculeviavarious O—H...O hydrogen bonds, forming layers parallel to (-101).

scholarly journals Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate

2017 ◽  
Vol 73 (3) ◽  
pp. 361-364 ◽  
Author(s):  
Marimuthu Mohana ◽  
Packianathan Thomas Muthiah ◽  
Colin D. McMillen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Sheet Structure ◽  
Bonding Patterns

In the crystal structure of the title compound, 5-fluorocytosinium picrate, C4H5FN3O+·C6H2N3O7−, one N heteroatom of the 5-fluorocytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA−) anion. In the crystal, the 5FC+cation interacts with the PA−anion through three-centre N—H...O hydrogen bonds, forming two conjoined rings havingR21(6) andR12(6) motifs, and is extended by N—H...O hydrogen bonds and C—H...O interactions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C—F...π interactions.

The heterometallic cadmium–silver complexcis-bis[dicyanidoargentato(I)-κN]bis(5,5′-dimethyl-2,2′-bipyridyl-κ2N,N′)cadmium(II) monohydrate

2013 ◽  
Vol 69 (10) ◽  
pp. 1136-1139 ◽  
Author(s):  
Jureepan Piromchom ◽  
Nanthawat Wannarit ◽  
Chaveng Pakawatchai ◽  
Sujittra Youngme
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Three Dimensional ◽  
Title Complex ◽  
Supramolecular Network ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Solvent Water ◽  
Bidentate Chelate

In the title complex, [Ag2Cd(CN)4(C12H12N2)2]·H2O orcis-[Cd{Ag(CN)2}2(5,5′-dmbpy)2]·H2O, where 5,5′-dmbpy is 5,5′-dimethyl-2,2′-bipyridyl, the asymmetric unit consists of a discrete neutral [Cd{Ag(CN)2}2(5,5′-dmbpy)2] unit and a solvent water molecule. The CdIIcation is coordinated by two bidentate chelate 5,5′-dmbpy ligands and two monodentate [AgI(CN)2]−anions, which are in acisarrangement around the CdIIcation, leading to an octahedral CdN6geometry. The overall structure is stabilized by a combination of intermolecular hydrogen bonding, and AgI...AgIand π–π interactions, forming a three-dimensional supramolecular network.

scholarly journals Crystal structure of 1,4,8,11-tetraazoniacyclotetradecane bis(dichromate) monohydrate from synchrotron data

2017 ◽  
Vol 73 (5) ◽  
pp. 755-758
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Three Dimensional ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Dichromate Anions

The asymmetric unit of the hydrated title salt, (C10H28N4)[Cr2O7]2·H2O [C10H28N4= H4(cyclam) = 1,4,8,11-tetraazoniacyclotetradecane], contains two half-cations (both completed by crystallographic inversion symmetry), two dichromate anions and one water molecule. The two [CrO7]2−anions exhibit a nearly staggered conformation, with bridging angles of 133.37 (11) and 136.28 (12)°. The distortions of the dichromate anions are due to their participation in hydrogen-bonding interactions with the water molecule and the cations. Intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the dichromate anions as acceptor groups give rise to a three-dimensional network.

scholarly journals Crystal structure of 3-(diethylamino)phenol

2015 ◽  
Vol 71 (12) ◽  
pp. o1075-o1075
Author(s):  
James A. Golen ◽  
Kyle J. McDonald ◽  
David R. Manke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C

The title compound, C10H15NO, has two molecules in the asymmetric unit. Each molecule has a near-planar C8NO unit excluding H atoms and the terminal methyl groups on the diethylamino groups, with mean deviations from planarity of 0.036 and 0.063 Å. In the crystal, hydrogen bonding leads to four-membered O—H...O—H...O—H·· rings. No π–π interactions were observed in the structure.

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